⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10382606 | 0.78 | — | — | |
| SCHEMBL4394629 | 0.78 | — | — | |
| SCHEMBL939170 | 0.76 | — | — | |
| Malonic Acid Diethyl Ester SCHEMBL1864301 | 0.75 | GAA (1.00) | — | |
| Ethyl Propionate SCHEMBL16045 | 0.75 | — | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331824 | 0.75 | GAA (1.00) | — | |
| Ethyl Propionate SCHEMBL1332690 | 0.75 | — | — | |
| Malonic Acid Diethyl Ester SCHEMBL1330550 | 0.75 | GAA (1.00) | — | |
| Succinic Acid Diethyl Ester SCHEMBL22780 | 0.75 | GAA (0.67) | — | |
| Malonic Acid Diethyl Ester SCHEMBL1331187 | 0.75 | GAA (1.00) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5981525-A | FOR THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS,TUMOURS, ULCERS, AUTOIMMUNE DISEASES, LIPIDEMIC DISORDERS, HYPERCHOLESTEROLEMIC AND ATHEROSCLEROTIC DISEASES, AIDS ALZHEIMER'S DISEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0802902-A1 | INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF OSTEOPOROSIS | Smithkline Beecham S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021644-A1 | INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF OSTEOPOROSIS | SMITHKLINE BEECHAM S.P.A. (IT) | 1996-07-18 | — | — | WO | disclosed |